Crystallography Open Database

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1010689 CIFH36 K4 O58 Si W12P 3219; 19; 12.58
90; 90; 120		3933Kraus, O
Untersuchungen ueber das Kristallgitter von Heteropoly-saeuren und deren Salzen
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1936, 94, 256-279
1502807 CIFC17 H20 O6P 329.5608; 9.5608; 14.687
90; 90; 120		1162.7Chen, Wen-Hao; Wang, Rui; Shi, Yan-Ping
Flavonoids in the poisonous plant Oxytropis falcata.
Journal of natural products, 2010, 73, 1398-1403
1502971 CIFC17 H18.78 Br N3 O2.39P 328.0855; 8.0855; 22.4109
90; 90; 120		1268.83Lim, Hwan Jung; Gallucci, Judith C.; RajanBabu, T. V.
Annulated diketopiperazines from dipeptides or Schöllkopf reagents via tandem cyclization-intramolecular N-arylation.
Organic letters, 2010, 12, 2162-2165
1503389 CIFC25 H32 O4P 3210.1431; 10.1431; 17.8259
90; 90; 120		1588.3Caron, Pierre-Yves; Deslongchamps, Pierre
Versatile strategy to access tricycles related to quassinoids and triterpenes.
Organic letters, 2010, 12, 508-511
1504278 CIFC23 H41 Cl N2 O5P 3213.3942; 13.3942; 27.3937
90; 90; 120		4256.1Pal, Ujjwal; Ranatunga, Sujeewa; Ariyarathna, Yamuna; Del Valle, Juan R.
Total synthesis of the putative structure of lucentamycin A.
Organic letters, 2009, 11, 5298-5301
1505481 CIFC538 H402 K18 N34 O38 Yb6P 3226.793; 26.793; 55.967
90; 90; 120		34794Wooten, Alfred J.; Carroll, Patrick J.; Walsh, Patrick J.
Impact of Na- and K-C pi-interactions on the structure and binding of M3(sol)n(BINOLate)3Ln catalysts.
Organic letters, 2007, 9, 3359-3362
1505527 CIFC3 H3 F5 N2 SP 3218.2817; 18.2817; 5.1851
90; 90; 120		1500.79Ye, Chengfeng; Gard, Gary L.; Winter, Rolf W.; Syvret, Robert G.; Twamley, Brendan; Shreeve, Jean'ne M.
Synthesis of pentafluorosulfanylpyrazole and pentafluorosulfanyl-1,2,3-triazole and their derivatives as energetic materials by click chemistry.
Organic letters, 2007, 9, 3841-3844
1505807 CIFC30 H40 O13P 328.978; 8.978; 33.622
90; 90; 120		2347Zhao, Yu; Wang, Fu-Sheng; Peng, Li-Yan; Li, Xiao-Li; Xu, Gang; Luo, Xiao-Xin; Lu, Yang; Wu, Li; Zheng, Qi-Tai; Zhao, Qin-Shi
Taxoids from Taxus chinensis.
Journal of natural products, 2006, 69, 1813-1815
1506096 CIFC26 H26 O10P 3213.352; 13.352; 12.1413
90; 90; 120		1874.51Nishida, Goushi; Suzuki, Nanami; Noguchi, Keiichi; Tanaka, Ken
Enantioselective Synthesis of Tetra-ortho-Substituted Axially Chiral Biaryls through Rhodium-Catalyzed Double [2 + 2 + 2] Cycloaddition.
Organic letters, 2006, 8, 3489-3492
1506324 CIFC33 H56 F6 O P3 RhP 3211.1077; 11.1077; 24.942
90; 90; 120		2665.1Yamamoto, Yoshikazu; Koizumi, Toru; Katagiri, Kosuke; Furuya, Yui; Danjo, Hiroshi; Imamoto, Tsuneo; Yamaguchi, Kentaro
Facile synthesis of highly congested 1,2-diphosphinobenzenes from bis(phosphine)boronium salts.
Organic letters, 2006, 8, 6103-6106
1507554 CIFC22 H23 N O4P 3211.144; 11.144; 27.418
90; 90; 120		2948.8Gizecki, Patricia; Dhal, Robert; Toupet, Loïc; Dujardin, Gilles
First Asymmetric Synthesis of a 6-Alkoxy-5,6-dihydro-1,3-oxazine: A Promising Enantioselective Route to β-Amido Aldehydes
Organic Letters, 2000, 2, 585
1512359 CIFC42 H34 Br3 O6P 3215.8305; 15.8305; 4.1963
90; 90; 120		910.72Wang, Zi-Yu; Wong, Wing-Tak; Yang, Dan
Organocatalyzed Asymmetric Synthesis of Dihydrodibenzofurans Based on a Dienamine Process.
Organic letters, 2013, 15, 4980-4983
1514934 CIFC28 H24P 3229.9106; 29.9106; 5.9714
90; 90; 120		4626.55Tseng, Nai-Wen; Liu, Jianzhao; Ng, Jason C. Y.; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong
Deciphering mechanism of aggregation-induced emission (AIE): Is E‒Z isomerisation involved in an AIE process?
Chemical Science, 2012, 3, 493
1516147 CIFC7 H9 Br O2P 3217.8119; 17.8119; 6.2589
90; 90; 120		1719.7Zipfel, Hannes F.; Carreira, Erick M.
An efficient synthesis strategy to the core structure of 6-5-6-5-6-membered epipolythiodiketopiperazines.
Organic letters, 2014, 16, 2854-2857
1517156 CIFC19 H23 N O3 SP 329.1575; 9.1575; 17.92
90; 90; 120		1301.44Harmata, Michael; Hong, Xuechuan; Barnes, Charles L.
Benzothiazines in synthesis. Toward the synthesis of pseudopteroxazole.
Organic letters, 2004, 6, 2201-2203
1518452 CIFC36 H58 Cl N3 O2P 3215.865; 15.865; 11.7214
90; 90; 120		2555Bandar, Jeffrey S.; Barthelme, Alexandre P.; Mazori, Alon Y.; Lambert, Tristan H.
Structure-Activity Relationship Studies of Cyclopropenimines as Enantioselective Brønsted Base Catalysts.
Chemical science (Royal Society of Chemistry : 2010), 2015, 6, 1537-1547
1518465 CIFC19 H26 O7P 329.2683; 9.2683; 18.5901
90; 90; 120		1382.97Xu, Jin-Fang; Zhao, Hui-Jun; Wang, Xiao-Bing; Li, Zhong-Rui; Luo, Jun; Yang, Ming-Hua; Yang, Lei; Yu, Wen-Ying; Yao, He-Quan; Luo, Jian-Guang; Kong, Ling-Yi
(±)-Melicolones A and B, Rearranged Prenylated Acetophenone Stereoisomers with an Unusual 9-Oxatricyclo[3.2.1.1(3,8)]nonane Core from the Leaves of Melicope ptelefolia.
Organic letters, 2015, 17, 146-149
1518495 CIFC16 H12 Br N3P 3210.18; 10.18; 10.954
90; 90; 120		983.1Tang, Hai-Tao; Xiong, Kai; Li, Ren-Hao; Ding, Zong-Cang; Zhan, Zhuang-Ping
Synthesis of 5,6-Dihydropyrazolo[1,5-c]quinazolines through Gold-Catalyzed Chemoselective Bicyclization of N-Propargylic Sulfonylhydrazones.
Organic letters, 2015, 17, 326-329
1520223 CIFC14 H16 Cl3 N O3P 3216.1172; 16.1172; 5.6393
90; 90; 120		1268.63Skvorcova, Marija; Grigorjeva, Liene; Jirgensons, Aigars
Tetrahydro-1,3-oxazepines via Intramolecular Amination of Cyclopropylmethyl Cation.
Organic letters, 2015, 17, 2902-2904
1520568 CIFC12 H15 N O5P 3212.654; 12.654; 6.786
90; 90; 120		941Reufer, Christian; Zielinski, Claudia; Schafer, Hans Jurgen; Frolich, Roland
Electro-organic Synthesis 68. Diastereoselective Cathodic Reduction of Phenylglyoxylic Acid Attached to Chiral Auxiliaries
Acta Chemica Scandinavica, 1999, 53, 1023-1037
1520569 CIFC12 H15 N O4 SP 3212.701; 12.701; 6.811
90; 90; 120		951.5Reufer, Christian; Zielinski, Claudia; Schafer, Hans Jurgen; Frolich, Roland
Electro-organic Synthesis 68. Diastereoselective Cathodic Reduction of Phenylglyoxylic Acid Attached to Chiral Auxiliaries
Acta Chemica Scandinavica, 1999, 53, 1023-1037
1525609 CIFLi2 Mo O4P 3214.362; 14.362; 9.604
90; 90; 120		1715.59Barinova, A.V.; Rastsvetaeva, R.K.; Nekrasov, Yu.V.; Pushcharovskii, D.Yu.
Crystal structure of Li2 Mo O4
Doklady Akad. Nauk, 2001, 376, 343-346
1536590 CIFIn6 Na2 Se10P 3224.57; 24.57; 17.414
90; 90; 120		9104.15Kienle, L.; Duppel, V.; Simon, A.; Deiseroth, H.J.
Ordnungsvarianten in ternaeren Chalkogeniden mit aufgefuellter beta-Manganstruktur
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 443-453
1544316 CIFC22 H21 Fe N O3P 329.7138; 9.7138; 33.882
90; 90; 120		2768.7Yang, Lei; Melot, Romain; Neuburger, Markus; Baudoin, Olivier
Palladium(0)-catalyzed asymmetric C(sp(3))-H arylation using a chiral binol-derived phosphate and an achiral ligand.
Chemical science, 2017, 8, 1344-1349
1544970 CIFC20 H19 Fe N S2P 3210.9404; 10.9404; 13.0885
90; 90; 120		1356.71Sánchez-Rodríguez, E P; Hochberger-Roa, F; Corona-Sánchez, R; Barquera-Lozada, J E; Toscano, R. A.; Urrutigoïty, M; Gouygou, M.; Ortega-Alfaro, M C; López-Cortés, J G
Chiral bidentate [N,S]-ferrocene ligands based on a thiazoline framework. Synthesis and use in palladium-catalyzed asymmetric allylic alkylation.
Dalton transactions (Cambridge, England : 2003), 2017, 46, 1510-1519
1546109 CIFC16 H15 N O3P 3213.9065; 13.9065; 6.0548
90; 90; 120		1014.07Liu, Rai-Shung; Liu, Jinxian; Skaria, Manisha; Sharma, Pankaj; Chiang, Yun-Wei
Ground-State Dioxygen Undergoes Metal-Free [3+2]-Annulations with Allenes and Nitrosoarenes Under Ambient Conditions
Chem. Sci., 2017
1546364 CIFC20 H26 N2P 3220.168; 20.168; 11.2557
90; 90; 120		3964.9Xie, Changmin; Luo, Jisheng; Zhang, Yan; Zhu, Lili; Hong, Ran
A Chiral Pentenolide-Based Unified Strategy toward Dihydrocorynantheal, Dihydrocorynantheol, Protoemetine, Protoemetinol, and Yohimbane.
Organic letters, 2017, 19, 3592-3595
1550581 CIFC18 H26 Ag N7 O13P 3230.382; 30.382; 14.976
90; 90; 120		11972houlton, andrew; Mistry, Liam; El-Zubir, Osama; Horrocks, Ben R.; Dura, Gema; Clegg, William; Waddell, Paul G.; Hofer, Werner; pope, thomas; Wright, Nicholas
Addressing the Properties of “Metallo-DNA” with a Ag(I)-Mediated Supramolecular Duplex
Chemical Science, 2019
1551277 CIF
HKL		C22 H31 Cl O3P 3213.1784; 13.1784; 9.8668
90; 90; 120		1484Evijola Llabani; Robert W. Hicklin; Hyang Yeon Lee; Stephen E. Motika; Lisa A. Crawford; Eranthie Weerapana; Paul J. Hergenrother
Diverse compounds from pleuromutilin lead to a thioredoxin inhibitor and inducer of ferroptosis
Nature Chemistry, 2019, 11, 521-532
1551876 CIFC33 H47 Ir N5 P2P 3223.001; 23.001; 17.621
90; 90; 120		8073.4Stefan Michlik; Rhett Kempe
A sustainable catalytic pyrrole synthesis
Nature Chemistry, 2013, 5, 140-144
1552939 CIF
HKL
Paper		C12 H28 In N2 Na O8 S2P 3213.3725; 13.3725; 40.84
90; 90; 120		6324.7Yoshinari, Nobuto; Konno, Takumi
Sodium [N,N′-ethylenebis(D-penicillaminato)]indate(III) tetrahydrate
IUCrData, 2019, 4
1553033 CIFC21 H28 N4 OP 3213.204; 13.204; 11.5028
90; 90; 120		1736.78Ma, Gaoyuan; Sibi, Mukund P.
Enantioselective allylic amination of MBH carbonates catalyzed by novel chiral 4-dialkylaminopyridine catalysts
Org. Chem. Front., 2014, 1, 1152
1553076 CIFC15 H13 N O5 SP 3210.3879; 10.3879; 24.218
90; 90; 120		2263.2Quan, Mao; Yang, Guoqiang; Xie, Fang; Gridnev, Ilya D.; Zhang, Wanbin
Pd(ii)-catalyzed asymmetric addition of arylboronic acids to cyclic N-sulfonyl ketimine esters and a DFT study of its mechanism
Organic Chemistry Frontiers, 2015, 2, 398
1553247 CIFC11 H12 Br N O2P 329.9756; 9.9756; 9.8502
90; 90; 120		848.89Smith, Catherine J.; Mansfield, Steven J.; Anderson, Edward A.; Burton, Jonathan W.
Four Step Total Synthesis of an H3Receptor Antagonist Using Only Tools Found in a Typical Teaching Laboratory
Journal of Chemical Education, 2018, 96, 137
1554840 CIFC12 H20 O4P 3213.594; 13.594; 5.7493
90; 90; 120		920.11Wang, Hengbin; Negretti, Solymar; Knauff, Allison R.; Montgomery, John
Exo-selective reductive macrocyclization of ynals.
Organic letters, 2015, 17, 1493-1496
1555276 CIFC23 H42 N4 O9P 3213.414; 13.414; 13.869
90; 90; 120		2161Ganesh Kumar, Mothukuri; Gopi, Hosahudya N.
γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization.
Organic letters, 2015, 17, 4738-4741
1563824 CIFC18 H21 Ge N O3P 3211.5388; 11.5388; 11.4295
90; 90; 120		1317.89Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica
(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes
Inorganica Chimica Acta, 2018, 483, 136-147
1563825 CIFC21 H25 N O3 SiP 3211.4794; 11.4794; 13.1483
90; 90; 120		1500.51Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica
(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes
Inorganica Chimica Acta, 2018, 483, 136-147
1563831 CIFC41 H51 Cl3 N2 O6 Si2P 3217.1006; 17.1006; 12.5741
90; 90; 120		3184.42Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica
(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes
Inorganica Chimica Acta, 2018, 483, 136-147
1565845 CIFC45 N7 O10 SP 3214.33767; 14.33767; 21.39635
90; 90; 120		3809.14Jeong, Rokam; Eom, Jae-Hoon; Gong, Jintaek; Kang, Minsang; Kim, Jaewook; Lee, Hee-Seung
Programmed hierarchical radial association of anisotropic foldamer assemblies.
Nanoscale, 2022, 14, 1700-1705
1572239 CIFC20 H11 Br O S2P 3212.4762; 12.4762; 9.5066
90; 90; 120		1281.51Zhao, Zhengxing; Li, Yingxin; Jia, Shiqi; Peng, Lei; Zhang, Zian; Wu, Fengdi; Wang, Pengfei; Qin, Wenling; Lan, Yu; Yan, Hailong
Catalytic asymmetric functionalization and dearomatization of thiophenes.
Chemical science, 2024, 15, 14295-14303
1572558 CIFC52 H60 F12 Fe N8 P2P 3211.2151; 11.2151; 39.789
90; 90; 120		4334.1Demirel, Nemrud; Dawor, Mahiob; Nadler, Greta; Ivlev, Sergei I.; Meggers, Eric
Stereogenic-at-iron mesoionic carbene complex for enantioselective C-H amidation.
Chemical science, 2024, 15, 15625-15631
2000251 CIF
Paper		C10 H21 N O5P 3213.013; 13.013; 6.326
90; 90; 120		927.7Barnes, J. C.; Paton, J. D.; Blyth, C. S.; Howie, R. A.
Camphoric acid and ammonium hydrogen camphorate monohydrate
Acta Crystallographica Section C, 1991, 47, 1888-1892
2000927 CIF
Paper		C20 H23 N O4P 3210.131; 10.131; 14.913
90; 90; 120		1325.6Ribár, B.; Radivojević, P.; Gašić, O.; Kanyó, I.; Golič, L.
Structure of isocorypalmine
Acta Crystallographica Section C, 1992, 48, 944-945
2003263 CIF
Paper		C9 H14 Br N O3P 329.793; 9.793; 9.978
90; 90; 120		828.7Ingham, S. L.; Lenman, M. M.
<i>N</i>-[2(<i>R</i>)-Bromopropanoyl]-(2<i>S</i>)-proline Methyl Ester
Acta Crystallographica Section C, 1995, 51, 537-538
2003347 CIF
Paper		C21 H28 N2 O2P 3215.034; 15.034; 7.187
90; 90; 120		1406.8Lisgarten, D. R.; Palmer, R. A.; Maes, D.; Lisgarten, J.; Wyns, L.
Two Steroidal Epimers, (5β,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5β-Epimer) and (5α,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5α-Epimer)
Acta Crystallographica Section C, 1995, 51, 666-670
2003760 CIF
Paper		C19 H29 N O3 SP 3212.457; 12.457; 10.505
90; 90; 120		1411.7Linden, A.; Stanchev, S.
Absolute Configurations of Two Enantiomers of a Substituted Cyclohexanone
Acta Crystallographica Section C, 1995, 51, 1697-1699
2006066 CIF
Paper		C9 H13 N3 O3P 329.363; 9.363; 11.015
90; 90; 120		836.3Liu-Gonzalez, M.; Sanz-Ruiz, F.; Gonzalez-Rosende, M. E.; Lozano-Lucía, O.; Zaballos-García, E.; Sepulveda-Arqués, J.
Ethyl <i>N</i>-Methyl-2-pyrrolylcarbonylhydrazinocarboxylate
Acta Crystallographica Section C, 1997, 53, 490-491
2006755 CIF
Paper		C7 H6 F3 N O2P 3214.493; 14.493; 10.191
90; 90; 120		1853.8Palmore, G. Tayhas R.; McBride-Wieser, Mary T.
Pyridinium Trifluoroacetate: Spoked Columns of Hydrogen-Bonded Cyclic Dimers
Acta Crystallographica Section C, 1997, 53, 1904-1907
2006946 CIF
Paper		C15 H20 O4P 329.221; 9.221; 14.006
90; 90; 120		1031.3Kakuda, Hiroko; Helal, Amr M.; Nakamura, Norio; Hattori, Masao
8α-Hydroxy-11α,13-dihydrozaluzanin C
Acta Crystallographica Section C, 1998, 54, 113-114

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